Analyte Name

RK 20448-Trihydrochloride

CAS Number

479501-40-1

Molecular Formula

C29H34N6O • 3HCl

Molecular Weight

592.0

Accurate Mass

590.22

SMILES

CN1CCN([C@@H]2CC[C@H](N3C4=C(C(N)=NC=N4)C(C5=CC=C(OC6=CC=CC=C6)C=C5)=C3)CC2)CC1.Cl.Cl.Cl

InChI

InChI=1S/C29H34N6O.3ClH/c1-33-15-17-34(18-16-33)22-9-11-23(12-10-22)35-19-26(27-28(30)31-20-32-29(27)35)21-7-13-25(14-8-21)36-24-5-3-2-4-6-24;;;/h2-8,13-14,19-20,22-23H,9-12,15-18H2,1H3,(H2,30,31,32);3*1H/t22-,23+;;;

IUPAC

7-((1s,4s)-4-(4-methylpiperazin-1-yl)cyclohexyl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine trihydrochloride

Alternate CAS Number

1435934-25-0; free amine: 479501-40-1

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat